Cetirizine methyl ester dihydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H27ClN2O3.2ClH
Molecular Weight	475.836
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Cetirizine methyl ester dihydrochloride

Structure Search

SMILES

Cl.Cl.COC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=VJPNCOBMAJDZSG-UHFFFAOYSA-N

InChI=1S/C22H27ClN2O3.2ClH/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19;;/h2-10,22H,11-17H2,1H3;2*1H

HIDE SMILES / InChI

Molecular Formula	C22H27ClN2O3
Molecular Weight	402.914
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:55:25 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:25 GMT 2023`
Record UNII	CQ58NC6PCL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cetirizine methyl ester dihydrochloride

Common Name

English

Methyl Ester of Cetirizine Dihydrochloride

Common Name

English

Acetic acid, [2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, methyl ester, dihydrochloride

Systematic Name

English

Methyl 2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetate dihydrochloride

Systematic Name

English

Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-, methyl ester, hydrochloride (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

CQ58NC6PCL

Created by admin on Sat Dec 16 19:55:26 GMT 2023 , Edited by admin on Sat Dec 16 19:55:26 GMT 2023

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CAS

83881-48-5

Created by admin on Sat Dec 16 19:55:26 GMT 2023 , Edited by admin on Sat Dec 16 19:55:26 GMT 2023

PRIMARY

PUBCHEM

163203243

Created by admin on Sat Dec 16 19:55:26 GMT 2023 , Edited by admin on Sat Dec 16 19:55:26 GMT 2023

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CETIRIZINE METHYL ESTER

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Amount: